1-chloro-2-(4-methylsulfanylphenoxy)benzene

C13H11ClOS — CID 141024023

IUPAC1-chloro-2-(4-methylsulfanylphenoxy)benzene
SMILESCSc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClOS/c1-16-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14/h2-9H,1H3
InChIKeyDXDXDQFYDVKRAI-UHFFFAOYSA-N
MW250.75 g/mol
LogP4.85
Rot. Bonds3

About 1-chloro-2-(4-methylsulfanylphenoxy)benzene

1-chloro-2-(4-methylsulfanylphenoxy)benzene (PubChem CID 141024023) has the molecular formula C13H11ClOS and a molecular weight of 250.75 g/mol. Its IUPAC name is 1-chloro-2-(4-methylsulfanylphenoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-(4-methylsulfanylphenoxy)benzene
PubChem CID141024023
Molecular FormulaC13H11ClOS
Molecular Weight250.75 g/mol
Exact Mass250.02
IUPAC Name1-chloro-2-(4-methylsulfanylphenoxy)benzene
SMILESCSc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClOS/c1-16-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14/h2-9H,1H3
InChIKeyDXDXDQFYDVKRAI-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-methylsulfanylphenoxy)benzene?
The IUPAC name of 1-chloro-2-(4-methylsulfanylphenoxy)benzene (CID 141024023) is 1-chloro-2-(4-methylsulfanylphenoxy)benzene.
What is the SMILES notation for 1-chloro-2-(4-methylsulfanylphenoxy)benzene?
The canonical SMILES for 1-chloro-2-(4-methylsulfanylphenoxy)benzene is CSc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-(4-methylsulfanylphenoxy)benzene?
The InChIKey is DXDXDQFYDVKRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS/c1-16-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14/h2-9H,1H3.
What are the key properties of 1-chloro-2-(4-methylsulfanylphenoxy)benzene?
1-chloro-2-(4-methylsulfanylphenoxy)benzene has a molecular weight of 250.75 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-methylsulfanylphenoxy)benzene is sourced from PubChem (CID 141024023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).